# generated using pymatgen
data_Sc8Cr(B8Ru)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45646921
_cell_length_b   8.86537662
_cell_length_c   11.17654564
_cell_angle_alpha   89.96101887
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc8Cr(B8Ru)3
_chemical_formula_sum   'Sc8 Cr1 B24 Ru3'
_cell_volume   342.48170645
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sc  Sc0  1  0.00000000  0.81907920  0.08447914  1.0
  Sc  Sc1  1  0.00000000  0.18292879  0.91252531  1.0
  Sc  Sc2  1  0.00000000  0.31958840  0.41734280  1.0
  Sc  Sc3  1  0.00000000  0.67873886  0.58673659  1.0
  Sc  Sc4  1  0.00000000  0.44345236  0.12792490  1.0
  Sc  Sc5  1  0.00000000  0.55541228  0.87159384  1.0
  Sc  Sc6  1  0.00000000  0.94301003  0.37265706  1.0
  Sc  Sc7  1  0.00000000  0.05700885  0.62765108  1.0
  Cr  Cr8  1  0.00000000  0.36124689  0.67989069  1.0
  B  B9  1  0.50000000  0.05342067  0.06472086  1.0
  B  B10  1  0.50000000  0.94683692  0.93464064  1.0
  B  B11  1  0.50000000  0.55308087  0.43512118  1.0
  B  B12  1  0.50000000  0.44708394  0.56553703  1.0
  B  B13  1  0.50000000  0.25139198  0.07849834  1.0
  B  B14  1  0.50000000  0.74807845  0.92065734  1.0
  B  B15  1  0.50000000  0.75091300  0.42145625  1.0
  B  B16  1  0.50000000  0.24906363  0.57941743  1.0
  B  B17  1  0.50000000  0.29349424  0.23619027  1.0
  B  B18  1  0.50000000  0.70615012  0.76397185  1.0
  B  B19  1  0.50000000  0.79365565  0.26390799  1.0
  B  B20  1  0.50000000  0.20648161  0.73574631  1.0
  B  B21  1  0.50000000  0.13004011  0.31764232  1.0
  B  B22  1  0.50000000  0.87026703  0.68307179  1.0
  B  B23  1  0.50000000  0.63003595  0.18242674  1.0
  B  B24  1  0.50000000  0.37033553  0.81655681  1.0
  B  B25  1  0.50000000  0.47947201  0.28777606  1.0
  B  B26  1  0.50000000  0.52066669  0.71211214  1.0
  B  B27  1  0.50000000  0.97956295  0.21238082  1.0
  B  B28  1  0.50000000  0.02076150  0.78726229  1.0
  B  B29  1  0.50000000  0.10186787  0.47196955  1.0
  B  B30  1  0.50000000  0.89776253  0.52816477  1.0
  B  B31  1  0.50000000  0.60172481  0.02795366  1.0
  B  B32  1  0.50000000  0.39825652  0.97200519  1.0
  Ru  Ru33  1  0.00000000  0.13852548  0.17979934  1.0
  Ru  Ru34  1  0.00000000  0.86127859  0.82085459  1.0
  Ru  Ru35  1  0.00000000  0.63932370  0.31935603  1.0